SCHEMBL7540595

SCHEMBL7540595

CCOC(=O)C(Cc1cn(Cc2ccc(OCc3csc(-c4ccccc4)n3)cc2)nc1-c1cccs1)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.43
TSHR P16473 5/20 0.43
NPC1 O15118 4/20 0.43
MAPT P10636 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 2/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
HSD17B10 Q99714 2/20 0.40
PKM P14618 1/20 0.40
KDM4E B2RXH2 3/20 0.39
PPARA Q07869 2/20 0.39
KLKB1 P03952 1/20 0.38
KLK1 P06870 1/20 0.38
POLB P06746 4/20 0.37
RXFP1 Q9HBX9 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5376645 0.92 RAB9A (0.45) RAB9ATSHRNPC1MAPTL3MBTL1
SCHEMBL6589744 0.88 MAPT (0.42) RAB9ATSHRNPC1MAPTL3MBTL1
SCHEMBL7546657 0.88 PPARA (0.46) TSHRMAPTALDH1A1KDM4EPPARA
SCHEMBL5372050 0.86 RAB9A (0.46) RAB9ATSHRNPC1MAPTL3MBTL1
SCHEMBL5377119 0.85 ALDH1A1 (0.45) RAB9ATSHRNPC1MAPTL3MBTL1
SCHEMBL5372403 0.85 MAPT (0.42) RAB9ATSHRNPC1MAPTL3MBTL1
SCHEMBL7547493 0.85 PPARA (0.54) PPARA
SCHEMBL5383106 0.84 FFAR1 (0.47) RAB9ATSHRNPC1MAPTL3MBTL1
SCHEMBL5377121 0.84 ALDH1A1 (0.44) RAB9ATSHRNPC1MAPTL3MBTL1
SCHEMBL5382577 0.83 ALDH1A1 (0.54) RAB9ATSHRNPC1MAPTL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1228067-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGYLCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 2002-08-07 EP disclosed
WO-2001038325-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-31 WO disclosed